Cycloheptatriene molybdenum tricarbonyl
[CAS# 12125-77-8]

Identification

• Classification: Organic raw materials >> Organometallic compound >> Organic scandium, tantalum, thallium, tungsten, antimony, lanthanum, lead, vanadium, molybdenum, chromium, ytterbium, etc.
• Name: Cycloheptatriene molybdenum tricarbonyl
• Synonyms: carbon monoxide cyclohepta-1,3,5-triene molybdenum
• Molecular Formula: C₁₀H₈MoO₃
• Molecular Weight: 272.13
• CAS Registry Number: 12125-77-8
• EC Number: 235-197-4
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=CC=C1.[Mo]

Safety Data

• Hazard Symbols: GHS06 Danger
• Hazard Statements: H301-H311-H331
• Precautionary Statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H332
Acute toxicity	Acute Tox.	4	H302
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2	H319
Acute toxicity	Acute Tox.	4	H312
Specific target organ toxicity - single exposure	STOT SE	3	H335

• Transport Information: UN 3466

Discovory and Applicatios

Cycloheptatriene molybdenum tricarbonyl is a significant organometallic compound that has garnered attention in the field of coordination chemistry and catalysis. This complex consists of a molybdenum center coordinated by three carbon monoxide (CO) ligands and a cycloheptatriene ligand. Its discovery and application highlight its versatility and importance in various chemical processes.

The discovery of cycloheptatriene molybdenum tricarbonyl is rooted in the study of transition metal complexes, where researchers have long been interested in the interactions between transition metals and organic ligands. Cycloheptatriene, a seven-membered aromatic ring with alternating double bonds, is known for its ability to form stable complexes with transition metals. The synthesis of cycloheptatriene molybdenum tricarbonyl involves reacting molybdenum hexacarbonyl with cycloheptatriene under controlled conditions. This reaction yields the complex with molybdenum at its center, coordinated by three CO ligands and one cycloheptatriene ligand.

Structurally, cycloheptatriene molybdenum tricarbonyl features a molybdenum atom bonded to three CO ligands in a trigonal planar arrangement and one cycloheptatriene ligand in an η^6-coordination mode. This configuration provides the complex with unique electronic and steric properties, contributing to its stability and reactivity. The cycloheptatriene ligand forms a planar ring system that interacts with the molybdenum center, while the CO ligands contribute to the overall coordination environment.

In catalysis, cycloheptatriene molybdenum tricarbonyl is used as a catalyst or catalyst precursor in various chemical reactions. One notable application is in the field of organic synthesis, where it serves as a catalyst for reactions such as hydroformylation and alkylation. Its ability to activate CO and other small molecules allows it to facilitate the formation of aldehydes and other carbonyl-containing compounds. Additionally, the compound's reactivity makes it valuable in polymerization processes, where it can be used to synthesize novel polymers with specific properties.

The compound also finds application in materials science, where its coordination chemistry is exploited to design and develop new materials with desirable electronic and optical characteristics. For example, the complex can be used to prepare molybdenum-containing polymers and composites with enhanced thermal and electrical properties. These materials have potential uses in electronic devices, sensors, and other advanced applications.

Furthermore, cycloheptatriene molybdenum tricarbonyl has been studied for its role in the development of new catalytic processes and reaction mechanisms. Research into its reactivity and interactions with other molecules provides insights into its potential applications in various chemical transformations and industrial processes.

In summary, cycloheptatriene molybdenum tricarbonyl is a significant organometallic complex with diverse applications in catalysis, organic synthesis, and materials science. Its unique structural and chemical properties make it a valuable tool for advancing chemical processes and developing new materials.